(2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine

C12H25NO3 — CID 166035268

IUPAC(2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine
SMILESCC[C@@H]1C[C@@H](OCCOCCOC)CN1C
InChIInChI=1S/C12H25NO3/c1-4-11-9-12(10-13(11)2)16-8-7-15-6-5-14-3/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyCZLYXFLHMVKIFM-VXGBXAGGSA-N
MW231.34 g/mol
LogP1.15
Rot. Bonds8

About (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine

(2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine (PubChem CID 166035268) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine
PubChem CID166035268
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name(2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine
SMILESCC[C@@H]1C[C@@H](OCCOCCOC)CN1C
InChIInChI=1S/C12H25NO3/c1-4-11-9-12(10-13(11)2)16-8-7-15-6-5-14-3/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyCZLYXFLHMVKIFM-VXGBXAGGSA-N
XLogP1.15
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-Methoxyethoxy)ethoxymethyl]-1-methyl-pyrrolidine
CID 479964
Pyrrolidinium, 2-[[2-(2-methoxyethoxy)ethoxy]methyl]-1,1-dimethyl-
CID 479965
2-[2-(2-Methoxyethoxy)ethoxymethyl]-1,1-dimethylpyrrolidin-1-ium iodide
CID 44265798
(2R)-2-ethyl-1-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 146518810
(2S,3S)-2-[(1S)-2-fluoro-1-propan-2-yloxyethyl]-3-methoxy-1-methylpyrrolidine
CID 177009948
1-Butoxy-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 3125914
3-(2-Methoxyethoxy)-1-methylpyrrolidine
CID 18723111
4-Methoxy-2-(methoxymethyl)-1-methylpyrrolidine
CID 20653637
1-Methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 20814192
2-methyl-N,N-di(propan-2-yl)oxolan-3-amine
CID 22975538
1-Methyl-3-pentoxypyrrolidine
CID 57285189
1-Propan-2-yl-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidine
CID 57834602

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine?
The IUPAC name of (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine (CID 166035268) is (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine.
What is the SMILES notation for (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine?
The canonical SMILES for (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine is CC[C@@H]1C[C@@H](OCCOCCOC)CN1C.
What is the InChIKey of (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine?
The InChIKey is CZLYXFLHMVKIFM-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-11-9-12(10-13(11)2)16-8-7-15-6-5-14-3/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine?
(2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 1.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine is sourced from PubChem (CID 166035268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).